5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]-5-(trifluoromethyl)cyclopenta-1,3-diene

C10H8F6O — CID 10106545

IUPAC5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]-5-(trifluoromethyl)cyclopenta-1,3-diene
SMILESFC(F)(F)CO/C=C/C1(C(F)(F)F)C=CC=C1
InChIInChI=1S/C10H8F6O/c11-9(12,13)7-17-6-5-8(10(14,15)16)3-1-2-4-8/h1-6H,7H2/b6-5+
InChIKeyTWDHPAPUNTYRTK-AATRIKPKSA-N
MW258.16 g/mol
LogP3.75
Rot. Bonds3

About 5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]-5-(trifluoromethyl)cyclopenta-1,3-diene

5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]-5-(trifluoromethyl)cyclopenta-1,3-diene (PubChem CID 10106545) has the molecular formula C10H8F6O and a molecular weight of 258.16 g/mol. Its IUPAC name is 5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]-5-(trifluoromethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]-5-(trifluoromethyl)cyclopenta-1,3-diene
PubChem CID10106545
Molecular FormulaC10H8F6O
Molecular Weight258.16 g/mol
Exact Mass258.05
IUPAC Name5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]-5-(trifluoromethyl)cyclopenta-1,3-diene
SMILESFC(F)(F)CO/C=C/C1(C(F)(F)F)C=CC=C1
InChIInChI=1S/C10H8F6O/c11-9(12,13)7-17-6-5-8(10(14,15)16)3-1-2-4-8/h1-6H,7H2/b6-5+
InChIKeyTWDHPAPUNTYRTK-AATRIKPKSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3,6-Bis(trifluoromethyl)oxepine
CID 134915403
(1E,3Z,5E)-4-methyl-1-(trifluoromethoxy)-2-(trifluoromethyl)octa-1,3,5,7-tetraene
CID 164130901
5,6,6,6-Tetrafluoro-1-(5,6,6,6-tetrafluorohexa-1,4-dienoxy)hexa-1,4-diene
CID 173446096
(1E,3Z,5Z)-4-ethenyl-1-(trifluoromethoxy)hepta-1,3,5-triene
CID 173489838
(1Z,3Z)-7,7,7-trifluoro-1-methoxyhepta-1,3-diene
CID 174375453
5-(1,1,2,2,2-pentafluoroethyl)-5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]cyclopenta-1,3-diene
CID 10402988
(1E,3Z,5Z)-5-ethyl-1-(trifluoromethoxy)hepta-1,3,5-triene
CID 143342368
(1E,3E)-1-propan-2-yloxy-5,5-bis(trifluoromethyl)hepta-1,3,6-triene
CID 143348736
(1E,3Z,6E)-4-ethenyl-1-(trifluoromethoxy)octa-1,3,6-triene
CID 143375499
(3Z)-6,6,6-trifluoro-4-methoxy-5,5-dimethylhexa-1,3-diene
CID 144800805
(1E,3Z,7Z)-1-(1,2,2-trifluoroethenoxy)nona-1,3,7-triene
CID 162551506

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]-5-(trifluoromethyl)cyclopenta-1,3-diene?
The IUPAC name of 5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]-5-(trifluoromethyl)cyclopenta-1,3-diene (CID 10106545) is 5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]-5-(trifluoromethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]-5-(trifluoromethyl)cyclopenta-1,3-diene?
The canonical SMILES for 5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]-5-(trifluoromethyl)cyclopenta-1,3-diene is FC(F)(F)CO/C=C/C1(C(F)(F)F)C=CC=C1.
What is the InChIKey of 5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]-5-(trifluoromethyl)cyclopenta-1,3-diene?
The InChIKey is TWDHPAPUNTYRTK-AATRIKPKSA-N. The full InChI is InChI=1S/C10H8F6O/c11-9(12,13)7-17-6-5-8(10(14,15)16)3-1-2-4-8/h1-6H,7H2/b6-5+.
What are the key properties of 5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]-5-(trifluoromethyl)cyclopenta-1,3-diene?
5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]-5-(trifluoromethyl)cyclopenta-1,3-diene has a molecular weight of 258.16 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]-5-(trifluoromethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 10106545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).